4-[3-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)propanoylamino]phenoxy]butanoic acid

Systemtic Name: 4-[3-[2-(2-phenylazanyl-1,3-benzoxazol-6-yl)propanoylamino]phenoxy]butanoic acid Openeye Name: 4-[3-[2-(2-anilino-1,3-benzoxazol-6-yl)propanoylamino]phenoxy]butanoic acid CAS Name: 4-[3-[[2-(2-anilino-1,3-benzoxazol-6-yl)-1-oxopropyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[3-[2-(2-anilino-1,3-benzoxazol-6-yl)propanoylamino]phenoxy]butanoic acid Traditional Name: 4-[3-[2-(2-anilino-1,3-benzoxazol-6-yl)propanoylamino]phenoxy]butyric acid Formula: C26H25N3O5 MolecularWeight: 459.4938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N=C(O2)NC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OCCCC(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)N=C(O2)NC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OCCCC(=O)O

InChI

InChI=1S/C26H25N3O5/c1-17(25(32)27-20-9-5-10-21(16-20)33-14-6-11-24(30)31)18-12-13-22-23(15-18)34-26(29-22)28-19-7-3-2-4-8-19/h2-5,7-10,12-13,15-17H,6,11,14H2,1H3,(H,27,32)(H,28,29)(H,30,31)